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At least 163 records · Page 9

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NASA NTRS2014

Visible-Light-Responsive Catalysts Using Quantum Dot-Modified TiO2 for Air and Water Purification

Photocatalysis, the oxidation or reduction of contaminants by light-activated catalysts, utilizing titanium dioxide (TiO2) as the catalytic substrate has been widely studied for trace contaminant control in both air and water applications. The interest in this process is due primarily to its low energy consumption and capacity for catalyst regeneration. Titanium dioxide requires ultraviolet light for activation due to its relatively large band gap energy of 3.2 eV. Traditionally, Hg-vapor fluorescent light sources are used in PCO reactors; however, the use of mercury precludes the use of this PCO technology in a spaceflight environment due to concerns over crew Hg exposure. The development of a visible-light responsive (VLR) TiO2-based catalyst would eliminate the concerns over mercury contamination. Further, VLR development would allow for the use of ambient visible solar radiation or highly efficient LEDs, both of which would make PCO approaches more efficient, flexible, economical, and safe. Though VLR catalyst development has been an active area of research for the past two decades, there are few commercially available VLR catalysts. Those VLR catalysts that are commercially available do not have adequate catalytic activity, in the visible region, to make them competitive with those operating under UV irradiation. This study was initiated to develop more effective VLR catalysts through a novel method in which quantum dots (QD) consisting of narrow band gap semiconductors (e.g., CdS, CdSe, PbS, ZnSe, etc.) are coupled to TiO2 via two preparation methods: 1) photodeposition and 2) mechanical alloying using a high-speed ball mill. A library of catalysts was developed and screened for gas and aqueous phase applications using ethanol and 4-chlorophenol as the target contaminants, respectively. Both target compounds are well studied in photocatalytic systems and served as model contaminants for this research. Synthesized catalysts were compared in terms of preparation method, nature of the quantum dots, and dosage of quantum dots.

visible light↗

NASA NTRS1967

Phenomenological Landau-Ginzburg theory for anisotropic superconductors.

Landau-Ginzburg theory extended to anisotropic superconducting energy gap, considering diffuse and specular boundary scattering

ENERGY BAND↗

DOE OSTI2025

Photophysical and Time‐resolved Infrared Properties of Long‐Lived Rhenium(I) 4,5‐Diazafluorene Tricarbonyl Chromophores

This report investigates the synthesis, structural characterization, fundamental molecular photophysics, electrochemistry, UV-Vis spectroelectrochemistry, and time-resolved infrared spectroscopic properties of eight [fac-Re(dafR)(CO) 3 L] 0/+ complexes, where R=ethyl [(dedaf); 1, 3, 5, 7] or H [(dafH); 2, 4, 6, 8] and L=Cl− (1, 2), imidazole [(Im); 3, 4], 4-ethylpyridine [(4-Etpy); 5, 6], or pyridine [(py); 7, 8]. Universally, 1–8 yield higher energy photoluminescence (PL) emission bands and higher PL quantum yields (up to 53 %) than the classic 2,2’-bipyridine (bpy) and 1,10-phenanthroline (phen) ligated Re(I) tricarbonyl complexes. The excited state lifetimes of 1–8 lie between those corresponding to the bpy and phen derivatives, ranging from 120 and 1300 ns at room temperature. Combinations of reductive UV-Vis spectroelectrochemistry, transient absorption spectroscopy, and time-resolved infrared spectroscopy consistently assigned the lowest excited states in 1–8 being of metal-to-ligand charge transfer (MLCT) character. These new ReI MLCT chromophores follow classic energy gap law behavior and possess the characteristics necessary for serving as valuable photosensitizers suitable to energize excited state electron and energy transfer photochemistry.

Charge transfer↗

DOE OSTI2024

Elucidating non-radiative decay in near-infrared lumiphores: Leveraging new design principles to develop a telecom band organic dye laser

Organic near-infrared (NIR) lumiphores have been targeted for biological and technological applications; however, these dyes exhibit exponentially decreasing quantum yields with decreasing energy gaps. The accepted model of this phenomenon invokes C–H stretching modes as the dominant route of non-radiative energy dissipation. Reducing the number of these modes is a popular strategy for the design of bright NIR lumiphores, but quantitative experimental validation of this strategy is lacking. Here, we evaluate the role of C–H modes in non-radiative relaxation through isotopic labeling of a NIR-emitting complex. Measurements comparing relaxation between protonated and perdeuterated complexes indicate that C–H modes do not contribute significantly to non-radiative relaxation. We instead propose that skeletal modes may play a larger role and suggest that minimizing scaffold size is a promising route for bright NIR lumiphores. In conclusion, we demonstrate the promise of such strategies through the development of the reddest organic-based laser dye yet reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2014

Visible-Light Responsive Catalysts Using Quantum Dot-Modified TiO2 for Air and Water Purification

visible light↗

DOE OSTI2021

Impact of a midband gravitational wave experiment on detectability of cosmological stochastic gravitational wave backgrounds

In this report we make forecasts for the impact a future “midband” space-based gravitational wave experiment, most sensitive to 10 -2 - 10Hz,could have on potential detections of cosmological stochastic gravitational wave backgrounds (SGWBs). Specific proposed midband experiments considered are TianGo, B-DECIGO, and AEDGE. We propose a combined power-law integrated sensitivity (CPLS) curve combining GW experiments over different frequency bands, which shows the midband improves sensitivity to SGWBs by up to two orders of magnitude at 10 -2 - 10 Hz . We consider GW emission from cosmic strings and phase transitions as benchmark examples of cosmological SGWBs. We explicitly model various astrophysical SGWB sources, most importantly from unresolved black hole mergers. Using Markov Chain Monte Carlo, we demonstrated that midband experiments can, when combined with LIGO A+ and LISA, significantly improve sensitivities to cosmological SGWBs and better separate them from astrophysical SGWBs. In particular, we forecast that a midband experiment improves sensitivity to cosmic string tension G μ by up to a factor of 10, driven by improved component separation from astrophysical sources. For phase transitions, a midband experiment can detect signals peaking at 0.1–1 Hz, which for our fiducial model corresponds to early Universe temperatures of T * ~10 4 – 10 6 GeV , generally beyond the reach of LIGO and LISA. The midband closes an energy gap and better captures characteristic spectral shape information. It thus substantially improves measurement of the properties of phase transitions at lower energies of T * ~ O(10 3 ) GeV , potentially relevant to new physics at the electroweak scale, whereas in this energy range LISA alone will detect an excess but not effectively measure the phase transition parameters. Our modeling code and chains are publicly available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1993

Self-, N2- and Ar-broadening and line mixing in HCN and C2H2

Self-, N2- and Ar-broadening coefficients were measured for the stretch-bend infrared combination bands nu-1 + nu-1/2 (4004/cm) of HCN and nu-1 + nu-1/5 (4091/cm) of C2H2, using a tunable difference-frequency laser. At atmospheric pressures, the Q branches of these bands exhibit significant rotational narrowing or line mixing. The broadening coefficients are fit with empirical rotationally inelastic collision rate laws, which are then used to model the line mixing in the overlapped Q-branch profiles. Simple energy gap fitting laws appear to be suitable for the shorter-range intermolecular quadrupole-quadrupole and induction forces, whereas an energy-corrected-sudden scaling law works better for the longer-range dipole-dipole and dipole-quadrupole collision partners. In all cases, the line-coupling coefficients are substantially reduced from the rotationally inelastic rates fit to the broadening coefficients, indicating that 35-70 percent of the broadening may be due to other collisional mechanisms such as cross-relaxation to the degenerate H state vibrational level.

Pine, A. S.↗

DOE OSTI2023

Atomic-Scale Andreev Probe of Unconventional Superconductivity

Recent emergence of low-dimensional unconventional superconductors and their exotic interface properties calls for new approaches to probe the pairing symmetry, a fundamental and frequently elusive property of the superconducting condensate. Here, we introduce the unique capability of tunneling Andreev reflection (TAR) to probe unconventional pairing symmetry, utilizing the sensitivity of this technique to specific Andreev reflections. Specifically, suppression of the lowest-order Andreev reflection due to quantum interference but emergence of the higher-order Andreev processes provides direct evidence of the sign-changing order parameter in the paradigmatic FeSe superconductor. Furthermore, TAR spectroscopy also reveals two superconducting gaps, points to a possibility of a nodal gap structure, and directly confirms that superconductivity is locally suppressed along the nematic twin boundary, with preferential and near-complete suppression of the larger energy gap. Furthermore, our findings therefore enable new, atomic-scale insight into microscopic, inhomogeneous, and interfacial properties of emerging quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Photosynthesis Protein Collective Vibrations Role in Energy Transfer and Dissipation (Final Technical Report)

This project investigates how low‑frequency collective vibrations of photosynthetic proteins control energy transfer and dissipation, using terahertz (THz) spectroscopy and advanced theoretical analysis. The central hypothesis is that specific long‑range protein scaffold motions, rather than just local chromophore dynamics, steer exciton transport and photoprotection by modulating energy gaps and coupling between pigments.

14 SOLAR ENERGY↗

DOE OSTI2026

Quantum state preparation with resolution refinement

We introduce a method called resolution refinement that allows one to bootstrap eigenstate preparation on a quantum computer. We first prepare an eigenstate of a low-resolution Hamiltonian using any method of choice. The eigenstate is then lifted to higher resolution and adiabatically evolved to produce the corresponding eigenstate of a higher-fidelity Hamiltonian. We give examples of resolution refinement applied to both single-particle basis states as well as a spatial lattice grid. For basis refinement, we compute few-body ground states of the Busch model for interacting particles in a harmonic trap in one dimension. For lattice refinement, we compute Hartree-Fock nuclear states for a central Woods-Saxon potential in three dimensions, and we compute bound states and continuum states in a multi-species Hubbard model of fermions in one dimension. In all cases, the method is efficient and requires an adiabatic evolution time that scales with the inverse of the energy gap times the square root of the system size. We show that this very favorable scaling arises from the fact that resolution refinement does not make large changes to the structure or energies of the low-energy eigenstates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2005

Temperature-dependent optical properties of Cd(1-x),Zn(x),Te substitute material

In this study, we report cryogenic optical properties of Cd(l-x), Zn(x), Te wafers that are used as substrate seed layers in the manufacturing of HgCdTe focal-plane array detectors. These studies are motivated by the fact that the substrate optical properties influence the overall detector performance. The studies consist of measuring the substrate frequency dependent transmittance T(W) and reflectance R(W) above and below the optical band-gap in the UV/Visible and infrared frequency ranges, and with temperature variation of the sample from 5 to 300 K. Determination of the optical absorption from these measurements show that the optical absorption energy gap near 1.6 eV shows a substantial increase as the temperature is reduced from 300 to 5 K. Furthermore, we observe the presence of infrared-active optical phonons whose peak frequency shifts as the temperature of the sample is varied over the measured temperature range. The theoretical frequency dependent optical conductivity, with allowance for redistribution of spectral weight among the interband transition charge carriers, will be discussed.

Quijada, Manuel A.↗

NASA NTRS2005

High-Efficiency Solar Cells Using Photonic-Bandgap Materials

Solar photovoltaic cells would be designed to exploit photonic-bandgap (PBG) materials to enhance their energy-conversion efficiencies, according to a proposal. Whereas the energy-conversion efficiencies of currently available solar cells are typically less than 30 percent, it has been estimated that the energy-conversion efficiencies of the proposed cells could be about 50 percent or possibly even greater. The primary source of inefficiency of a currently available solar cell is the mismatch between the narrow wavelength band associated with the semiconductor energy gap (the bandgap) and the broad wavelength band of solar radiation. This mismatch results in loss of power from both (1) long-wavelength photons, defined here as photons that do not have enough energy to excite electron-hole pairs across the bandgap, and (2) short-wavelength photons, defined here as photons that excite electron- hole pairs with energies much above the bandgap. It follows that a large increase in efficiency could be obtained if a large portion of the incident solar energy could be funneled into a narrow wavelength band corresponding to the bandgap. In the proposed approach, such funneling would be effected by use of PBG materials as intermediaries between the Sun and photovoltaic cells.

Dowling, Jonathan↗

DOE OSTI2024

Anomalous normal-state gap in an electron-doped cuprate

In the underdoped n-type cuprate Nd 2-x Ce x CuO 4 , long-range antiferromagnetic order reconstructs the Fermi surface, resulting in a putative antiferromagnetic metal with small Fermi pockets. Using angle-resolved photoemission spectroscopy, here we observe an anomalous energy gap, an order of magnitude smaller than the antiferromagnetic gap, in a wide portion of the underdoped regime and smoothly connecting to the superconducting gap at optimal doping. After considering all the known ordering tendencies in tandem with the phase diagram, we hypothesize that the normal-state gap in the underdoped n-type cuprates originates from Cooper pairing. In conclusion, the high temperature scale of the normal-state gap raises the prospect of engineering higher transition temperatures in the n-type cuprates comparable to those of the p-type cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1993

Radiation effects in Ga(0.47)In(0.53)As solar cells

The effects of irradiating Ga(0.47)In(0.53)As p-i-n junctions with 1 MeV electrons were measured using Deep Level Transient Spectroscopy (DLTS) and both dark and illuminated (1 sun, air mass zero (AM0)) current-voltage (I-V) measurements. The I-V measurements were made over the range 100K less than T less than 350K. Temperature coefficients of the Ga(0.47)In(0.53)As photovoltaic parameters are presented which follow the same general behavior as other solar cell materials (e.g. Si and GaAs). Fits of the dark I-V data to the two term diode equation before irradiation were satisfactory, yielding an estimated band-gap energy of 0.79 eV. The recombination component of the dark current was found to increase linearly with fluence. DLTS detected two radiation-induced defect levels one shallow (E(sub c)-0.10 eV) and one near mid-gap (E(sub c)-0.29 eV), and it is the near mid-gap level which is expected to be the cause of the dark current increase. The radiation-induced degradation of the open circuit voltage is shown to be accurately predicted from the dark I-V measurements. The degradation of the open circuit voltage dominated the radiation response of the photovoltaic parameters while the short circuit current was only moderately degraded. This behavior is qualitatively explained in terms of the base thickness and dopant level. Appropriate changes in the device structure are suggested which should increase the radiation resistance. Isochronal thermal annealing induced recovery in the photovoltaic parameters at approximately 400K, coinciding with an annealing stage of the near mid-gap defect level.

Walters, R. J.↗

NASA NTRS2010

InGaP Heterojunction Barrier Solar Cells

A new solar-cell structure utilizes a single, ultra-wide well of either gallium arsenide (GaAs) or indium-gallium-phosphide (InGaP) in the depletion region of a wide bandgap matrix, instead of the usual multiple quantum well layers. These InGaP barrier layers are effective at reducing diode dark current, and photogenerated carrier escape is maximized by the proper design of the electric field and barrier profile. With the new material, open-circuit voltage enhancements of 40 and 100 mV (versus PIN control systems) are possible without any degradation in short-circuit current. Basic tenets of quantum-well and quantum- dot solar cells are utilized, but instead of using multiple thin layers, a single wide well works better. InGaP is used as a barrier material, which increases open current, while simultaneously lowering dark current, reducing both hole diffusion from the base, and space charge recombination within the depletion region. Both the built-in field and the barrier profile are tailored to enhance thermionic emissions, which maximizes the photocurrent at forward bias, with a demonstrated voltage increase. An InGaP heterojunction barrier solar cell consists of a single, ultra-wide GaAs, aluminum-gallium-arsenide (AlGaAs), or lower-energy-gap InGaP absorber well placed within the depletion region of an otherwise wide bandgap PIN diode. Photogenerated electron collection is unencumbered in this structure. InGaAs wells can be added to the thick GaAs absorber layer to capture lower-energy photons.

Welser, Roger E.↗

DOE OSTI2023

CsPbBr3 perovskite single crystals for X- and -radiation detectors

Methods were developed for the synthesis and growth of halide lead perovskites CsPbBr3, which can be used as detectors of optical, X-ray, and -radiation. The growth of single crystals was carried out by the Bridgman method in quartz ampoules using zone-refined starting material. The electro-physical properties of the inorganic perovskite lead cesium tribromide CsPbBr3 were studied. Two types of structures with Cr/CsPbBr3/Ni rectifying and Ni/CsPbBr3/Ni ohmic contacts were fabricated. The resistivity of (  7×109 Ohmcm), and the activation energy of the dark conductivity (E  0.8 eV) were determined. From the measurements of the optical transmission spectra, the CsPbBr3 energy gap at 300 K was found to be Еg = 2.27 eV. The temperature dependence of the forbidden gap (Eg(T) = 2.4 - 4*10-4 T, eV) was also determined. A significant increase in photosensitivity for the Cr/CsPbBr3/Ni structure was observed at elevated temperatures. The Cr/CsPbBr3/Ni structures were shown to be sensitive to -radiation. The FWHM of the energy resolution for 241Am source was measured to be 15.8 keV.

Sklyarchuk, V.↗

DOE OSTI2021

Low-energy spin dynamics in rare-earth perovskite oxides

We review recent studies of spin dynamics in rare-earth orthorhombic perovskite oxides of the type RMO 3 , where R is a rare-earth ion and M is a transition-metal ion, using single-crystal inelastic neutron scattering (INS). After a short introduction to the magnetic INS technique in general, the results of INS experiments on both transition-metal and rare-earth subsystems for four selected compounds (YbFeO 3 , TmFeO 3 , YFeO 3 , YbAlO 3 ) are presented. We show that the spectrum of magnetic excitations consists of two types of collective modes that are well separated in energy: gapped magnons with a typical bandwidth of <70 meV, associated with the antiferromagnetically (AFM) ordered transition-metal subsystem, and AFM fluctuations of <5 meV within the rare-earth subsystem, with no hybridization of those modes. We discuss the high-energy conventional magnon excitations of the 3d subsystem only briefly, and focus in more detail on the spectacular dynamics of the rare-earth sublattice in these materials. We observe that the nature of the ground state and the low-energy excitation strongly depends on the identity of the rare-earth ion. In the case of non-Kramers ions, the low-symmetry crystal field completely eliminates the degeneracy of the multiplet state, creating a rich magnetic field-temperature phase diagram. In the case of Kramers ions, the resulting ground state is at least a doublet, which can be viewed as an effective quantum spin-1/2. Equally important is the fact that in Yb-based materials the nearest-neighbor exchange interaction dominates in one direction, despite the three-dimensional nature of the orthoperovskite crystal structure. The observation of a fractional spinon continuum and quantum criticality in YbAlO3 demonstrates that Kramers rare-earth based magnets can provide realizations of various aspects of quantum low-dimensional physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1989

Narrow bandgap semiconducting silicides: Intrinsic infrared detectors on a silicon chip

Polycrystalline thin films of CrSi2, LaSi2, and ReSi2 were grown on silicon substrates. Normal incidence optical transmittance and reflectance measurements were made as a function of wavelength. It was demonstrated that LaSi2 is a metallic conductor, but that CrSi2 and ReSi2 are, in fact, narrow bandgap semiconductors. For CrSi2, the complex index of refraction was determined by computer analysis of the optical data. From the imaginary part, the optical absorption coefficient was determined as a function of photon energy. It was shown that CrSi2 possesses an indirect forbidden energy gap of slightly less than 0.31 eV, and yet it is a very strong absorber of light above the absorption edge. On the other hand, the ReSi2 films exhibit an absorption edge in the vicinity of 0.2 eV. Measurements of the thermal activation energy of resistivity for ReSi2 indicate a bandgap of 0.18 eV. It is concluded that the semiconducting silicides merit further investigation for development as new silicon-compatible infrared detector materials.

Mahan, John E.↗